5-(dimethylamino)-5-phenylhexan-2-one

C14H21NO — CID 140945265

IUPAC5-(dimethylamino)-5-phenylhexan-2-one
SMILESCC(=O)CCC(C)(c1ccccc1)N(C)C
InChIInChI=1S/C14H21NO/c1-12(16)10-11-14(2,15(3)4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyJSUKACVDIJILEE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds5

About 5-(dimethylamino)-5-phenylhexan-2-one

5-(dimethylamino)-5-phenylhexan-2-one (PubChem CID 140945265) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(dimethylamino)-5-phenylhexan-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-5-phenylhexan-2-one
PubChem CID140945265
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-(dimethylamino)-5-phenylhexan-2-one
SMILESCC(=O)CCC(C)(c1ccccc1)N(C)C
InChIInChI=1S/C14H21NO/c1-12(16)10-11-14(2,15(3)4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyJSUKACVDIJILEE-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-oxo-2-phenylhexanenitrile
CID 162400071
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
2,2-difluoro-1-phenylhexane-1,5-dione
CID 10561190
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;6-methyl-6-phenylheptan-2-one
CID 161010051
7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one
CID 162419681
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
2,2-diphenylpentan-3-one
CID 70793023
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
3-amino-3-phenylpentane-2,4-dione
CID 70119036

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-phenylhexan-2-one?
The IUPAC name of 5-(dimethylamino)-5-phenylhexan-2-one (CID 140945265) is 5-(dimethylamino)-5-phenylhexan-2-one.
What is the SMILES notation for 5-(dimethylamino)-5-phenylhexan-2-one?
The canonical SMILES for 5-(dimethylamino)-5-phenylhexan-2-one is CC(=O)CCC(C)(c1ccccc1)N(C)C.
What is the InChIKey of 5-(dimethylamino)-5-phenylhexan-2-one?
The InChIKey is JSUKACVDIJILEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(16)10-11-14(2,15(3)4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3.
What are the key properties of 5-(dimethylamino)-5-phenylhexan-2-one?
5-(dimethylamino)-5-phenylhexan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-phenylhexan-2-one is sourced from PubChem (CID 140945265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).